(1S,2S)-2-(aminocarbonylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-(aminocarbonylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-allophanoylcyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(carbamoylamino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-(carbamoylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-allophanoylcyclohexanecarboxylic acid Formula: C9H14N2O4 MolecularWeight: 214.21846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(=O)N)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC(=O)N)C(=O)O

InChI

InChI=1S/C9H14N2O4/c10-9(15)11-7(12)5-3-1-2-4-6(5)8(13)14/h5-6H,1-4H2,(H,13,14)(H3,10,11,12,15)/t5-,6-/m0/s1